AMBER Archive (2005)

Subject: AMBER: a problem with mm_pbsa

From: Ye MEI (ymei_at_itcc.nju.edu.cn)
Date: Tue Apr 19 2005 - 09:23:01 CDT

Dear amber users,

I am trying mm_pbsa to test the binding stability of a peptide/ligand complex. But pb calculation starting from one snapshot gives an error message in the output file as:
 PB bomb in pb_reslist(): maxnbr too small
I researched the mailing list and found that cutres should be set to 12 or higher. But the manual of amber8 says that the default value for cutres is 12. And in the input file of mm_pbsa, there is no such option to modify the value of cutres.
What should I do then?

                                 

Ye MEI
ymei_at_itcc.nju.edu.cn
2005-04-19

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